(2S)-2-(methylamino)-N-[[4-[2-oxo-2-[(2S)-2-(4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]oxan-4-yl]methyl]propanamide

C26H34N6O3S — CID 163587729

IUPAC(2S)-2-(methylamino)-N-[[4-[2-oxo-2-[(2S)-2-(4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]oxan-4-yl]methyl]propanamide
SMILESCN[C@@H](C)C(=O)NCC1(CC(=O)N2CCC[C@H]2c2nc(-c3cnn4ccccc34)cs2)CCOCC1
InChIInChI=1S/C26H34N6O3S/c1-18(27-2)24(34)28-17-26(8-12-35-13-9-26)14-23(33)31-10-5-7-22(31)25-30-20(16-36-25)19-15-29-32-11-4-3-6-21(19)32/h3-4,6,11,15-16,18,22,27H,5,7-10,12-14,17H2,1-2H3,(H,28,34)/t18-,22-/m0/s1
InChIKeyGMWTZQFNPNYAEP-AVRDEDQJSA-N
MW510.66 g/mol
LogP3.03
Rot. Bonds8

About (2S)-2-(methylamino)-N-[[4-[2-oxo-2-[(2S)-2-(4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]oxan-4-yl]methyl]propanamide

(2S)-2-(methylamino)-N-[[4-[2-oxo-2-[(2S)-2-(4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]oxan-4-yl]methyl]propanamide (PubChem CID 163587729) has the molecular formula C26H34N6O3S and a molecular weight of 510.66 g/mol. Its IUPAC name is (2S)-2-(methylamino)-N-[[4-[2-oxo-2-[(2S)-2-(4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]oxan-4-yl]methyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(methylamino)-N-[[4-[2-oxo-2-[(2S)-2-(4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]oxan-4-yl]methyl]propanamide
PubChem CID163587729
Molecular FormulaC26H34N6O3S
Molecular Weight510.66 g/mol
Exact Mass510.24
IUPAC Name(2S)-2-(methylamino)-N-[[4-[2-oxo-2-[(2S)-2-(4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]oxan-4-yl]methyl]propanamide
SMILESCN[C@@H](C)C(=O)NCC1(CC(=O)N2CCC[C@H]2c2nc(-c3cnn4ccccc34)cs2)CCOCC1
InChIInChI=1S/C26H34N6O3S/c1-18(27-2)24(34)28-17-26(8-12-35-13-9-26)14-23(33)31-10-5-7-22(31)25-30-20(16-36-25)19-15-29-32-11-4-3-6-21(19)32/h3-4,6,11,15-16,18,22,27H,5,7-10,12-14,17H2,1-2H3,(H,28,34)/t18-,22-/m0/s1
InChIKeyGMWTZQFNPNYAEP-AVRDEDQJSA-N
XLogP3.03
TPSA100.86 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.66
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (2S)-2-(methylamino)-N-[[4-[2-oxo-2-[(2S)-2-(4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]oxan-4-yl]methyl]propanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(methylamino)-N-[[4-[2-oxo-2-[(2S)-2-(4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]oxan-4-yl]methyl]propanamide?
The IUPAC name of (2S)-2-(methylamino)-N-[[4-[2-oxo-2-[(2S)-2-(4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]oxan-4-yl]methyl]propanamide (CID 163587729) is (2S)-2-(methylamino)-N-[[4-[2-oxo-2-[(2S)-2-(4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]oxan-4-yl]methyl]propanamide.
What is the SMILES notation for (2S)-2-(methylamino)-N-[[4-[2-oxo-2-[(2S)-2-(4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]oxan-4-yl]methyl]propanamide?
The canonical SMILES for (2S)-2-(methylamino)-N-[[4-[2-oxo-2-[(2S)-2-(4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]oxan-4-yl]methyl]propanamide is CN[C@@H](C)C(=O)NCC1(CC(=O)N2CCC[C@H]2c2nc(-c3cnn4ccccc34)cs2)CCOCC1.
What is the InChIKey of (2S)-2-(methylamino)-N-[[4-[2-oxo-2-[(2S)-2-(4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]oxan-4-yl]methyl]propanamide?
The InChIKey is GMWTZQFNPNYAEP-AVRDEDQJSA-N. The full InChI is InChI=1S/C26H34N6O3S/c1-18(27-2)24(34)28-17-26(8-12-35-13-9-26)14-23(33)31-10-5-7-22(31)25-30-20(16-36-25)19-15-29-32-11-4-3-6-21(19)32/h3-4,6,11,15-16,18,22,27H,5,7-10,12-14,17H2,1-2H3,(H,28,34)/t18-,22-/m0/s1.
What are the key properties of (2S)-2-(methylamino)-N-[[4-[2-oxo-2-[(2S)-2-(4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]oxan-4-yl]methyl]propanamide?
(2S)-2-(methylamino)-N-[[4-[2-oxo-2-[(2S)-2-(4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]oxan-4-yl]methyl]propanamide has a molecular weight of 510.66 g/mol, XLogP of 3.03, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(methylamino)-N-[[4-[2-oxo-2-[(2S)-2-(4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]oxan-4-yl]methyl]propanamide is sourced from PubChem (CID 163587729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).