N-[(2S)-2-(diethylamino)propyl]-2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide

C29H37N7O2S — CID 134539868

IUPACN-[(2S)-2-(diethylamino)propyl]-2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
SMILESCCN(CC)[C@@H](C)CNC(=O)c1cc(-c2cnn3ccc(-c4cccs4)nc23)nc(N2CCC[C@H]2COC)c1
InChIInChI=1S/C29H37N7O2S/c1-5-34(6-2)20(3)17-30-29(37)21-15-25(32-27(16-21)35-12-7-9-22(35)19-38-4)23-18-31-36-13-11-24(33-28(23)36)26-10-8-14-39-26/h8,10-11,13-16,18,20,22H,5-7,9,12,17,19H2,1-4H3,(H,30,37)/t20-,22-/m0/s1
InChIKeyOOGQNEOBWKOJMN-UNMCSNQZSA-N
MW547.73 g/mol
LogP4.60
Rot. Bonds11

About N-[(2S)-2-(diethylamino)propyl]-2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide

N-[(2S)-2-(diethylamino)propyl]-2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide (PubChem CID 134539868) has the molecular formula C29H37N7O2S and a molecular weight of 547.73 g/mol. Its IUPAC name is N-[(2S)-2-(diethylamino)propyl]-2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(diethylamino)propyl]-2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
PubChem CID134539868
Molecular FormulaC29H37N7O2S
Molecular Weight547.73 g/mol
Exact Mass547.27
IUPAC NameN-[(2S)-2-(diethylamino)propyl]-2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
SMILESCCN(CC)[C@@H](C)CNC(=O)c1cc(-c2cnn3ccc(-c4cccs4)nc23)nc(N2CCC[C@H]2COC)c1
InChIInChI=1S/C29H37N7O2S/c1-5-34(6-2)20(3)17-30-29(37)21-15-25(32-27(16-21)35-12-7-9-22(35)19-38-4)23-18-31-36-13-11-24(33-28(23)36)26-10-8-14-39-26/h8,10-11,13-16,18,20,22H,5-7,9,12,17,19H2,1-4H3,(H,30,37)/t20-,22-/m0/s1
InChIKeyOOGQNEOBWKOJMN-UNMCSNQZSA-N
XLogP4.60
TPSA87.89 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500547.73
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[(2S)-2-(diethylamino)propyl]-2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(diethylamino)propyl]-2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide?
The IUPAC name of N-[(2S)-2-(diethylamino)propyl]-2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide (CID 134539868) is N-[(2S)-2-(diethylamino)propyl]-2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-[(2S)-2-(diethylamino)propyl]-2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide?
The canonical SMILES for N-[(2S)-2-(diethylamino)propyl]-2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide is CCN(CC)[C@@H](C)CNC(=O)c1cc(-c2cnn3ccc(-c4cccs4)nc23)nc(N2CCC[C@H]2COC)c1.
What is the InChIKey of N-[(2S)-2-(diethylamino)propyl]-2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide?
The InChIKey is OOGQNEOBWKOJMN-UNMCSNQZSA-N. The full InChI is InChI=1S/C29H37N7O2S/c1-5-34(6-2)20(3)17-30-29(37)21-15-25(32-27(16-21)35-12-7-9-22(35)19-38-4)23-18-31-36-13-11-24(33-28(23)36)26-10-8-14-39-26/h8,10-11,13-16,18,20,22H,5-7,9,12,17,19H2,1-4H3,(H,30,37)/t20-,22-/m0/s1.
What are the key properties of N-[(2S)-2-(diethylamino)propyl]-2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide?
N-[(2S)-2-(diethylamino)propyl]-2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide has a molecular weight of 547.73 g/mol, XLogP of 4.60, 11 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(diethylamino)propyl]-2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide is sourced from PubChem (CID 134539868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).