N-[(4R)-6-(4-chlorophenyl)-7-[2-chloro-4-(1H-pyrazol-4-yl)phenyl]-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-4-methyl-1H-pyrazole-5-carboxamide

C30H26Cl2N6O2 — CID 67020210

IUPACN-[(4R)-6-(4-chlorophenyl)-7-[2-chloro-4-(1H-pyrazol-4-yl)phenyl]-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-4-methyl-1H-pyrazole-5-carboxamide
SMILESCc1cn[nH]c1C(=O)N[C@@H]1CC(C)(C)Oc2nc(-c3ccc(-c4cn[nH]c4)cc3Cl)c(-c3ccc(Cl)cc3)cc21
InChIInChI=1S/C30H26Cl2N6O2/c1-16-13-35-38-26(16)28(39)36-25-12-30(2,3)40-29-23(25)11-22(17-4-7-20(31)8-5-17)27(37-29)21-9-6-18(10-24(21)32)19-14-33-34-15-19/h4-11,13-15,25H,12H2,1-3H3,(H,33,34)(H,35,38)(H,36,39)/t25-/m1/s1
InChIKeyFXBHDYWHFZPNPA-RUZDIDTESA-N
MW573.48 g/mol
LogP7.18
Rot. Bonds5

About N-[(4R)-6-(4-chlorophenyl)-7-[2-chloro-4-(1H-pyrazol-4-yl)phenyl]-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-4-methyl-1H-pyrazole-5-carboxamide

N-[(4R)-6-(4-chlorophenyl)-7-[2-chloro-4-(1H-pyrazol-4-yl)phenyl]-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-4-methyl-1H-pyrazole-5-carboxamide (PubChem CID 67020210) has the molecular formula C30H26Cl2N6O2 and a molecular weight of 573.48 g/mol. Its IUPAC name is N-[(4R)-6-(4-chlorophenyl)-7-[2-chloro-4-(1H-pyrazol-4-yl)phenyl]-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-4-methyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(4R)-6-(4-chlorophenyl)-7-[2-chloro-4-(1H-pyrazol-4-yl)phenyl]-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-4-methyl-1H-pyrazole-5-carboxamide
PubChem CID67020210
Molecular FormulaC30H26Cl2N6O2
Molecular Weight573.48 g/mol
Exact Mass572.15
IUPAC NameN-[(4R)-6-(4-chlorophenyl)-7-[2-chloro-4-(1H-pyrazol-4-yl)phenyl]-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-4-methyl-1H-pyrazole-5-carboxamide
SMILESCc1cn[nH]c1C(=O)N[C@@H]1CC(C)(C)Oc2nc(-c3ccc(-c4cn[nH]c4)cc3Cl)c(-c3ccc(Cl)cc3)cc21
InChIInChI=1S/C30H26Cl2N6O2/c1-16-13-35-38-26(16)28(39)36-25-12-30(2,3)40-29-23(25)11-22(17-4-7-20(31)8-5-17)27(37-29)21-9-6-18(10-24(21)32)19-14-33-34-15-19/h4-11,13-15,25H,12H2,1-3H3,(H,33,34)(H,35,38)(H,36,39)/t25-/m1/s1
InChIKeyFXBHDYWHFZPNPA-RUZDIDTESA-N
XLogP7.18
TPSA108.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.48
LogP ≤ 57.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4R)-6-(4-chlorophenyl)-7-[2-chloro-4-(1H-pyrazol-4-yl)phenyl]-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-4-methyl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[(4R)-6-(4-chlorophenyl)-7-[2-chloro-4-(1H-pyrazol-4-yl)phenyl]-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-4-methyl-1H-pyrazole-5-carboxamide (CID 67020210) is N-[(4R)-6-(4-chlorophenyl)-7-[2-chloro-4-(1H-pyrazol-4-yl)phenyl]-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-4-methyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[(4R)-6-(4-chlorophenyl)-7-[2-chloro-4-(1H-pyrazol-4-yl)phenyl]-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-4-methyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[(4R)-6-(4-chlorophenyl)-7-[2-chloro-4-(1H-pyrazol-4-yl)phenyl]-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-4-methyl-1H-pyrazole-5-carboxamide is Cc1cn[nH]c1C(=O)N[C@@H]1CC(C)(C)Oc2nc(-c3ccc(-c4cn[nH]c4)cc3Cl)c(-c3ccc(Cl)cc3)cc21.
What is the InChIKey of N-[(4R)-6-(4-chlorophenyl)-7-[2-chloro-4-(1H-pyrazol-4-yl)phenyl]-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-4-methyl-1H-pyrazole-5-carboxamide?
The InChIKey is FXBHDYWHFZPNPA-RUZDIDTESA-N. The full InChI is InChI=1S/C30H26Cl2N6O2/c1-16-13-35-38-26(16)28(39)36-25-12-30(2,3)40-29-23(25)11-22(17-4-7-20(31)8-5-17)27(37-29)21-9-6-18(10-24(21)32)19-14-33-34-15-19/h4-11,13-15,25H,12H2,1-3H3,(H,33,34)(H,35,38)(H,36,39)/t25-/m1/s1.
What are the key properties of N-[(4R)-6-(4-chlorophenyl)-7-[2-chloro-4-(1H-pyrazol-4-yl)phenyl]-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-4-methyl-1H-pyrazole-5-carboxamide?
N-[(4R)-6-(4-chlorophenyl)-7-[2-chloro-4-(1H-pyrazol-4-yl)phenyl]-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-4-methyl-1H-pyrazole-5-carboxamide has a molecular weight of 573.48 g/mol, XLogP of 7.18, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-6-(4-chlorophenyl)-7-[2-chloro-4-(1H-pyrazol-4-yl)phenyl]-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-4-methyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 67020210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).