N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-chloro-2-[2-(1,3-dimethylpyrazol-4-yl)-6-fluorophenyl]imidazo[1,2-a]pyridine-7-carboxamide

C25H23ClFN5O4 — CID 177116660

IUPACN-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-chloro-2-[2-(1,3-dimethylpyrazol-4-yl)-6-fluorophenyl]imidazo[1,2-a]pyridine-7-carboxamide
SMILESCc1nn(C)cc1-c1cccc(F)c1-c1nc2cc(C(=O)N[C@@H]3CO[C@H]4[C@@H]3OC[C@H]4O)ccn2c1Cl
InChIInChI=1S/C25H23ClFN5O4/c1-12-15(9-31(2)30-12)14-4-3-5-16(27)20(14)21-24(26)32-7-6-13(8-19(32)29-21)25(34)28-17-10-35-23-18(33)11-36-22(17)23/h3-9,17-18,22-23,33H,10-11H2,1-2H3,(H,28,34)/t17-,18-,22-,23-/m1/s1
InChIKeySSZSNIHIYDRWLV-DPZOUVDISA-N
MW511.94 g/mol
LogP2.76
Rot. Bonds4

About N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-chloro-2-[2-(1,3-dimethylpyrazol-4-yl)-6-fluorophenyl]imidazo[1,2-a]pyridine-7-carboxamide

N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-chloro-2-[2-(1,3-dimethylpyrazol-4-yl)-6-fluorophenyl]imidazo[1,2-a]pyridine-7-carboxamide (PubChem CID 177116660) has the molecular formula C25H23ClFN5O4 and a molecular weight of 511.94 g/mol. Its IUPAC name is N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-chloro-2-[2-(1,3-dimethylpyrazol-4-yl)-6-fluorophenyl]imidazo[1,2-a]pyridine-7-carboxamide.

Molecular Properties

Compound NameN-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-chloro-2-[2-(1,3-dimethylpyrazol-4-yl)-6-fluorophenyl]imidazo[1,2-a]pyridine-7-carboxamide
PubChem CID177116660
Molecular FormulaC25H23ClFN5O4
Molecular Weight511.94 g/mol
Exact Mass511.14
IUPAC NameN-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-chloro-2-[2-(1,3-dimethylpyrazol-4-yl)-6-fluorophenyl]imidazo[1,2-a]pyridine-7-carboxamide
SMILESCc1nn(C)cc1-c1cccc(F)c1-c1nc2cc(C(=O)N[C@@H]3CO[C@H]4[C@@H]3OC[C@H]4O)ccn2c1Cl
InChIInChI=1S/C25H23ClFN5O4/c1-12-15(9-31(2)30-12)14-4-3-5-16(27)20(14)21-24(26)32-7-6-13(8-19(32)29-21)25(34)28-17-10-35-23-18(33)11-36-22(17)23/h3-9,17-18,22-23,33H,10-11H2,1-2H3,(H,28,34)/t17-,18-,22-,23-/m1/s1
InChIKeySSZSNIHIYDRWLV-DPZOUVDISA-N
XLogP2.76
TPSA102.91 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.94
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-chloro-2-[2-(1,3-dimethylpyrazol-4-yl)-6-fluorophenyl]imidazo[1,2-a]pyridine-7-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-chloro-2-[2-(1,3-dimethylpyrazol-4-yl)-6-fluorophenyl]imidazo[1,2-a]pyridine-7-carboxamide?
The IUPAC name of N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-chloro-2-[2-(1,3-dimethylpyrazol-4-yl)-6-fluorophenyl]imidazo[1,2-a]pyridine-7-carboxamide (CID 177116660) is N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-chloro-2-[2-(1,3-dimethylpyrazol-4-yl)-6-fluorophenyl]imidazo[1,2-a]pyridine-7-carboxamide.
What is the SMILES notation for N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-chloro-2-[2-(1,3-dimethylpyrazol-4-yl)-6-fluorophenyl]imidazo[1,2-a]pyridine-7-carboxamide?
The canonical SMILES for N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-chloro-2-[2-(1,3-dimethylpyrazol-4-yl)-6-fluorophenyl]imidazo[1,2-a]pyridine-7-carboxamide is Cc1nn(C)cc1-c1cccc(F)c1-c1nc2cc(C(=O)N[C@@H]3CO[C@H]4[C@@H]3OC[C@H]4O)ccn2c1Cl.
What is the InChIKey of N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-chloro-2-[2-(1,3-dimethylpyrazol-4-yl)-6-fluorophenyl]imidazo[1,2-a]pyridine-7-carboxamide?
The InChIKey is SSZSNIHIYDRWLV-DPZOUVDISA-N. The full InChI is InChI=1S/C25H23ClFN5O4/c1-12-15(9-31(2)30-12)14-4-3-5-16(27)20(14)21-24(26)32-7-6-13(8-19(32)29-21)25(34)28-17-10-35-23-18(33)11-36-22(17)23/h3-9,17-18,22-23,33H,10-11H2,1-2H3,(H,28,34)/t17-,18-,22-,23-/m1/s1.
What are the key properties of N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-chloro-2-[2-(1,3-dimethylpyrazol-4-yl)-6-fluorophenyl]imidazo[1,2-a]pyridine-7-carboxamide?
N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-chloro-2-[2-(1,3-dimethylpyrazol-4-yl)-6-fluorophenyl]imidazo[1,2-a]pyridine-7-carboxamide has a molecular weight of 511.94 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-chloro-2-[2-(1,3-dimethylpyrazol-4-yl)-6-fluorophenyl]imidazo[1,2-a]pyridine-7-carboxamide is sourced from PubChem (CID 177116660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).