(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

C20H25ClN6O5 — CID 130391519

IUPAC(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
SMILESCOCc1cc(CN(C)c2nc3nc(O[C@@H]4CO[C@H]5[C@@H]4OC[C@H]5O)[nH]c3cc2Cl)nn1C
InChIInChI=1S/C20H25ClN6O5/c1-26(6-10-4-11(7-29-3)27(2)25-10)19-12(21)5-13-18(23-19)24-20(22-13)32-15-9-31-16-14(28)8-30-17(15)16/h4-5,14-17,28H,6-9H2,1-3H3,(H,22,23,24)/t14-,15-,16-,17-/m1/s1
InChIKeyKIZMTXPGALOIIP-QBPKDAKJSA-N
MW464.91 g/mol
LogP1.03
Rot. Bonds7

About (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

(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 (PubChem CID 130391519) 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-[[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.

Molecular Properties

Compound Name(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
PubChem CID130391519
Molecular FormulaC20H25ClN6O5
Molecular Weight464.91 g/mol
Exact Mass464.16
IUPAC Name(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
SMILESCOCc1cc(CN(C)c2nc3nc(O[C@@H]4CO[C@H]5[C@@H]4OC[C@H]5O)[nH]c3cc2Cl)nn1C
InChIInChI=1S/C20H25ClN6O5/c1-26(6-10-4-11(7-29-3)27(2)25-10)19-12(21)5-13-18(23-19)24-20(22-13)32-15-9-31-16-14(28)8-30-17(15)16/h4-5,14-17,28H,6-9H2,1-3H3,(H,22,23,24)/t14-,15-,16-,17-/m1/s1
InChIKeyKIZMTXPGALOIIP-QBPKDAKJSA-N
XLogP1.03
TPSA119.78 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.91
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze (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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is COCc1cc(CN(C)c2nc3nc(O[C@@H]4CO[C@H]5[C@@H]4OC[C@H]5O)[nH]c3cc2Cl)nn1C.
What is the InChIKey of (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?
The InChIKey is KIZMTXPGALOIIP-QBPKDAKJSA-N. The full InChI is InChI=1S/C20H25ClN6O5/c1-26(6-10-4-11(7-29-3)27(2)25-10)19-12(21)5-13-18(23-19)24-20(22-13)32-15-9-31-16-14(28)8-30-17(15)16/h4-5,14-17,28H,6-9H2,1-3H3,(H,22,23,24)/t14-,15-,16-,17-/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 464.91 g/mol, XLogP of 1.03, 7 rotatable bonds, 2 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-[[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 is sourced from PubChem (CID 130391519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).