(3R,3aR,6R,6aR)-6-[[6-chloro-5-[[1-(3-methoxypropyl)pyrazol-3-yl]methylamino]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol

C20H25ClN6O5 — CID 130391657

IUPAC(3R,3aR,6R,6aR)-6-[[6-chloro-5-[[1-(3-methoxypropyl)pyrazol-3-yl]methylamino]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
SMILESCOCCCn1ccc(CNc2nc3nc(O[C@@H]4CO[C@H]5[C@@H]4OC[C@H]5O)[nH]c3cc2Cl)n1
InChIInChI=1S/C20H25ClN6O5/c1-29-6-2-4-27-5-3-11(26-27)8-22-18-12(21)7-13-19(24-18)25-20(23-13)32-15-10-31-16-14(28)9-30-17(15)16/h3,5,7,14-17,28H,2,4,6,8-10H2,1H3,(H2,22,23,24,25)/t14-,15-,16-,17-/m1/s1
InChIKeyNFYVIDLYIDXDKQ-QBPKDAKJSA-N
MW464.91 g/mol
LogP1.36
Rot. Bonds9

About (3R,3aR,6R,6aR)-6-[[6-chloro-5-[[1-(3-methoxypropyl)pyrazol-3-yl]methylamino]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol

(3R,3aR,6R,6aR)-6-[[6-chloro-5-[[1-(3-methoxypropyl)pyrazol-3-yl]methylamino]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol (PubChem CID 130391657) has the molecular formula C20H25ClN6O5 and a molecular weight of 464.91 g/mol. Its IUPAC name is (3R,3aR,6R,6aR)-6-[[6-chloro-5-[[1-(3-methoxypropyl)pyrazol-3-yl]methylamino]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol.

Molecular Properties

Compound Name(3R,3aR,6R,6aR)-6-[[6-chloro-5-[[1-(3-methoxypropyl)pyrazol-3-yl]methylamino]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
PubChem CID130391657
Molecular FormulaC20H25ClN6O5
Molecular Weight464.91 g/mol
Exact Mass464.16
IUPAC Name(3R,3aR,6R,6aR)-6-[[6-chloro-5-[[1-(3-methoxypropyl)pyrazol-3-yl]methylamino]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
SMILESCOCCCn1ccc(CNc2nc3nc(O[C@@H]4CO[C@H]5[C@@H]4OC[C@H]5O)[nH]c3cc2Cl)n1
InChIInChI=1S/C20H25ClN6O5/c1-29-6-2-4-27-5-3-11(26-27)8-22-18-12(21)7-13-19(24-18)25-20(23-13)32-15-10-31-16-14(28)9-30-17(15)16/h3,5,7,14-17,28H,2,4,6,8-10H2,1H3,(H2,22,23,24,25)/t14-,15-,16-,17-/m1/s1
InChIKeyNFYVIDLYIDXDKQ-QBPKDAKJSA-N
XLogP1.36
TPSA128.57 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.91
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (3R,3aR,6R,6aR)-6-[[6-chloro-5-[[1-(3-methoxypropyl)pyrazol-3-yl]methylamino]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R,3aR,6R,6aR)-6-[[6-chloro-5-(pyridin-2-ylmethylamino)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
CID 130391598
(3R,3aR,6R,6aR)-6-[[6-chloro-5-[(2,6-difluoro-4-methoxyphenyl)methylamino]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
CID 130391252
(3R,3aR,6R,6aR)-6-[[6-chloro-5-[(2,6-difluoro-3-methoxyphenyl)methylamino]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
CID 130391290
N-[2-[[(3R,3aR,6R,6aR)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-6-chloro-1H-imidazo[4,5-b]pyridin-5-yl]-3-methoxybenzamide
CID 130391439
(3R,3aR,6R,6aR)-6-[[6-chloro-5-[[3-(3-methoxypropylamino)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl]amino]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
CID 138617620
(3R,3aR,6R,6aR)-6-[[6-chloro-5-[[2-(oxan-2-ylmethyl)pyrazol-3-yl]methylamino]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
CID 130391526
N-[2-[[(3R,3aR,6R,6aR)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-6-chloro-1H-imidazo[4,5-b]pyridin-5-yl]benzamide
CID 130391381
1-[2-[4-[[[2-[[(3R,3aR,6R,6aR)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-6-chloro-1H-imidazo[4,5-b]pyridin-5-yl]amino]methyl]-3,5-difluorophenoxy]ethyl]pyrrolidin-2-one
CID 130391690
(3R,3aR,6R,6aR)-6-[[6-chloro-5-[[5-(methoxymethyl)-1-methylpyrazol-3-yl]methyl-methylamino]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
CID 130391519
2-[[(3R,6R,6aR)-6-propan-2-yloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy]-6-chloro-N-[(2,6-difluorophenyl)methyl]-1H-imidazo[4,5-b]pyridin-5-amine
CID 145072530
2-[4-[4-[2-[[(3R,3aR,6R,6aR)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-6-chloro-1H-imidazo[4,5-b]pyridin-5-yl]phenyl]phenyl]-1H-pyrazol-5-one
CID 90067573
(3R,3aR,6R,6aR)-6-[[6-chloro-5-[[(3R)-4-fluoro-6-[(E)-3-methoxyprop-1-enyl]-2,3-dihydro-1-benzofuran-3-yl]amino]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
CID 130391357

Frequently Asked Questions

What is the IUPAC name of (3R,3aR,6R,6aR)-6-[[6-chloro-5-[[1-(3-methoxypropyl)pyrazol-3-yl]methylamino]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol?
The IUPAC name of (3R,3aR,6R,6aR)-6-[[6-chloro-5-[[1-(3-methoxypropyl)pyrazol-3-yl]methylamino]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol (CID 130391657) is (3R,3aR,6R,6aR)-6-[[6-chloro-5-[[1-(3-methoxypropyl)pyrazol-3-yl]methylamino]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol.
What is the SMILES notation for (3R,3aR,6R,6aR)-6-[[6-chloro-5-[[1-(3-methoxypropyl)pyrazol-3-yl]methylamino]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol?
The canonical SMILES for (3R,3aR,6R,6aR)-6-[[6-chloro-5-[[1-(3-methoxypropyl)pyrazol-3-yl]methylamino]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol is COCCCn1ccc(CNc2nc3nc(O[C@@H]4CO[C@H]5[C@@H]4OC[C@H]5O)[nH]c3cc2Cl)n1.
What is the InChIKey of (3R,3aR,6R,6aR)-6-[[6-chloro-5-[[1-(3-methoxypropyl)pyrazol-3-yl]methylamino]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol?
The InChIKey is NFYVIDLYIDXDKQ-QBPKDAKJSA-N. The full InChI is InChI=1S/C20H25ClN6O5/c1-29-6-2-4-27-5-3-11(26-27)8-22-18-12(21)7-13-19(24-18)25-20(23-13)32-15-10-31-16-14(28)9-30-17(15)16/h3,5,7,14-17,28H,2,4,6,8-10H2,1H3,(H2,22,23,24,25)/t14-,15-,16-,17-/m1/s1.
What are the key properties of (3R,3aR,6R,6aR)-6-[[6-chloro-5-[[1-(3-methoxypropyl)pyrazol-3-yl]methylamino]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol?
(3R,3aR,6R,6aR)-6-[[6-chloro-5-[[1-(3-methoxypropyl)pyrazol-3-yl]methylamino]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol has a molecular weight of 464.91 g/mol, XLogP of 1.36, 9 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,3aR,6R,6aR)-6-[[6-chloro-5-[[1-(3-methoxypropyl)pyrazol-3-yl]methylamino]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol is sourced from PubChem (CID 130391657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).