N-(1,5-dimethylpyrazol-4-yl)sulfanyl-6-[3-[(2,2,3,3-tetramethylcyclopropyl)methoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide

C29H41N7O2S — CID 134606035

IUPACN-(1,5-dimethylpyrazol-4-yl)sulfanyl-6-[3-[(2,2,3,3-tetramethylcyclopropyl)methoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
SMILESCc1c(SNC(=O)c2ccc(-n3ccc(OCC4C(C)(C)C4(C)C)n3)nc2N2C[C@@H](C)CC2(C)C)cnn1C
InChIInChI=1S/C29H41N7O2S/c1-18-14-27(3,4)35(16-18)25-20(26(37)33-39-21-15-30-34(9)19(21)2)10-11-23(31-25)36-13-12-24(32-36)38-17-22-28(5,6)29(22,7)8/h10-13,15,18,22H,14,16-17H2,1-9H3,(H,33,37)/t18-/m0/s1
InChIKeyUYWINRAZDGWUMW-SFHVURJKSA-N
MW551.76 g/mol
LogP5.43
Rot. Bonds8

About N-(1,5-dimethylpyrazol-4-yl)sulfanyl-6-[3-[(2,2,3,3-tetramethylcyclopropyl)methoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide

N-(1,5-dimethylpyrazol-4-yl)sulfanyl-6-[3-[(2,2,3,3-tetramethylcyclopropyl)methoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide (PubChem CID 134606035) has the molecular formula C29H41N7O2S and a molecular weight of 551.76 g/mol. Its IUPAC name is N-(1,5-dimethylpyrazol-4-yl)sulfanyl-6-[3-[(2,2,3,3-tetramethylcyclopropyl)methoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1,5-dimethylpyrazol-4-yl)sulfanyl-6-[3-[(2,2,3,3-tetramethylcyclopropyl)methoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
PubChem CID134606035
Molecular FormulaC29H41N7O2S
Molecular Weight551.76 g/mol
Exact Mass551.30
IUPAC NameN-(1,5-dimethylpyrazol-4-yl)sulfanyl-6-[3-[(2,2,3,3-tetramethylcyclopropyl)methoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
SMILESCc1c(SNC(=O)c2ccc(-n3ccc(OCC4C(C)(C)C4(C)C)n3)nc2N2C[C@@H](C)CC2(C)C)cnn1C
InChIInChI=1S/C29H41N7O2S/c1-18-14-27(3,4)35(16-18)25-20(26(37)33-39-21-15-30-34(9)19(21)2)10-11-23(31-25)36-13-12-24(32-36)38-17-22-28(5,6)29(22,7)8/h10-13,15,18,22H,14,16-17H2,1-9H3,(H,33,37)/t18-/m0/s1
InChIKeyUYWINRAZDGWUMW-SFHVURJKSA-N
XLogP5.43
TPSA90.10 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.76
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethylpyrazol-4-yl)sulfanyl-6-[3-[(2,2,3,3-tetramethylcyclopropyl)methoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?
The IUPAC name of N-(1,5-dimethylpyrazol-4-yl)sulfanyl-6-[3-[(2,2,3,3-tetramethylcyclopropyl)methoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide (CID 134606035) is N-(1,5-dimethylpyrazol-4-yl)sulfanyl-6-[3-[(2,2,3,3-tetramethylcyclopropyl)methoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-(1,5-dimethylpyrazol-4-yl)sulfanyl-6-[3-[(2,2,3,3-tetramethylcyclopropyl)methoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for N-(1,5-dimethylpyrazol-4-yl)sulfanyl-6-[3-[(2,2,3,3-tetramethylcyclopropyl)methoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide is Cc1c(SNC(=O)c2ccc(-n3ccc(OCC4C(C)(C)C4(C)C)n3)nc2N2C[C@@H](C)CC2(C)C)cnn1C.
What is the InChIKey of N-(1,5-dimethylpyrazol-4-yl)sulfanyl-6-[3-[(2,2,3,3-tetramethylcyclopropyl)methoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?
The InChIKey is UYWINRAZDGWUMW-SFHVURJKSA-N. The full InChI is InChI=1S/C29H41N7O2S/c1-18-14-27(3,4)35(16-18)25-20(26(37)33-39-21-15-30-34(9)19(21)2)10-11-23(31-25)36-13-12-24(32-36)38-17-22-28(5,6)29(22,7)8/h10-13,15,18,22H,14,16-17H2,1-9H3,(H,33,37)/t18-/m0/s1.
What are the key properties of N-(1,5-dimethylpyrazol-4-yl)sulfanyl-6-[3-[(2,2,3,3-tetramethylcyclopropyl)methoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?
N-(1,5-dimethylpyrazol-4-yl)sulfanyl-6-[3-[(2,2,3,3-tetramethylcyclopropyl)methoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide has a molecular weight of 551.76 g/mol, XLogP of 5.43, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethylpyrazol-4-yl)sulfanyl-6-[3-[(2,2,3,3-tetramethylcyclopropyl)methoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 134606035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).