(4S)-4-(dimethylamino)-1-[6-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperidin-2-one

C26H30N8O — CID 155282305

IUPAC(4S)-4-(dimethylamino)-1-[6-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperidin-2-one
SMILESCC(C)c1cnn2ccc(-c3ccnc(Nc4ccc(N5CC[C@H](N(C)C)CC5=O)cn4)n3)cc12
InChIInChI=1S/C26H30N8O/c1-17(2)21-16-29-34-12-8-18(13-23(21)34)22-7-10-27-26(30-22)31-24-6-5-20(15-28-24)33-11-9-19(32(3)4)14-25(33)35/h5-8,10,12-13,15-17,19H,9,11,14H2,1-4H3,(H,27,28,30,31)/t19-/m0/s1
InChIKeyQZJWVFBTMGPBPY-IBGZPJMESA-N
MW470.58 g/mol
LogP4.11
Rot. Bonds6

About (4S)-4-(dimethylamino)-1-[6-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperidin-2-one

(4S)-4-(dimethylamino)-1-[6-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperidin-2-one (PubChem CID 155282305) has the molecular formula C26H30N8O and a molecular weight of 470.58 g/mol. Its IUPAC name is (4S)-4-(dimethylamino)-1-[6-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperidin-2-one.

Molecular Properties

Compound Name(4S)-4-(dimethylamino)-1-[6-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperidin-2-one
PubChem CID155282305
Molecular FormulaC26H30N8O
Molecular Weight470.58 g/mol
Exact Mass470.25
IUPAC Name(4S)-4-(dimethylamino)-1-[6-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperidin-2-one
SMILESCC(C)c1cnn2ccc(-c3ccnc(Nc4ccc(N5CC[C@H](N(C)C)CC5=O)cn4)n3)cc12
InChIInChI=1S/C26H30N8O/c1-17(2)21-16-29-34-12-8-18(13-23(21)34)22-7-10-27-26(30-22)31-24-6-5-20(15-28-24)33-11-9-19(32(3)4)14-25(33)35/h5-8,10,12-13,15-17,19H,9,11,14H2,1-4H3,(H,27,28,30,31)/t19-/m0/s1
InChIKeyQZJWVFBTMGPBPY-IBGZPJMESA-N
XLogP4.11
TPSA91.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.58
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (4S)-4-(dimethylamino)-1-[6-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-(dimethylamino)-1-[6-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperidin-2-one?
The IUPAC name of (4S)-4-(dimethylamino)-1-[6-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperidin-2-one (CID 155282305) is (4S)-4-(dimethylamino)-1-[6-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperidin-2-one.
What is the SMILES notation for (4S)-4-(dimethylamino)-1-[6-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperidin-2-one?
The canonical SMILES for (4S)-4-(dimethylamino)-1-[6-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperidin-2-one is CC(C)c1cnn2ccc(-c3ccnc(Nc4ccc(N5CC[C@H](N(C)C)CC5=O)cn4)n3)cc12.
What is the InChIKey of (4S)-4-(dimethylamino)-1-[6-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperidin-2-one?
The InChIKey is QZJWVFBTMGPBPY-IBGZPJMESA-N. The full InChI is InChI=1S/C26H30N8O/c1-17(2)21-16-29-34-12-8-18(13-23(21)34)22-7-10-27-26(30-22)31-24-6-5-20(15-28-24)33-11-9-19(32(3)4)14-25(33)35/h5-8,10,12-13,15-17,19H,9,11,14H2,1-4H3,(H,27,28,30,31)/t19-/m0/s1.
What are the key properties of (4S)-4-(dimethylamino)-1-[6-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperidin-2-one?
(4S)-4-(dimethylamino)-1-[6-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperidin-2-one has a molecular weight of 470.58 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(dimethylamino)-1-[6-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperidin-2-one is sourced from PubChem (CID 155282305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).