2,3-dimethyl-N-[[3-(4-methylpiperazine-1-carbonyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]methyl]benzamide

C23H31N5O2 — CID 128971505

IUPAC2,3-dimethyl-N-[[3-(4-methylpiperazine-1-carbonyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]methyl]benzamide
SMILESCc1cccc(C(=O)NCC2CCn3ncc(C(=O)N4CCN(C)CC4)c3C2)c1C
InChIInChI=1S/C23H31N5O2/c1-16-5-4-6-19(17(16)2)22(29)24-14-18-7-8-28-21(13-18)20(15-25-28)23(30)27-11-9-26(3)10-12-27/h4-6,15,18H,7-14H2,1-3H3,(H,24,29)
InChIKeyGEDPCQVNVPGROC-UHFFFAOYSA-N
MW409.53 g/mol
LogP1.88
Rot. Bonds4

About 2,3-dimethyl-N-[[3-(4-methylpiperazine-1-carbonyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]methyl]benzamide

2,3-dimethyl-N-[[3-(4-methylpiperazine-1-carbonyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]methyl]benzamide (PubChem CID 128971505) has the molecular formula C23H31N5O2 and a molecular weight of 409.53 g/mol. Its IUPAC name is 2,3-dimethyl-N-[[3-(4-methylpiperazine-1-carbonyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]methyl]benzamide.

Molecular Properties

Compound Name2,3-dimethyl-N-[[3-(4-methylpiperazine-1-carbonyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]methyl]benzamide
PubChem CID128971505
Molecular FormulaC23H31N5O2
Molecular Weight409.53 g/mol
Exact Mass409.25
IUPAC Name2,3-dimethyl-N-[[3-(4-methylpiperazine-1-carbonyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]methyl]benzamide
SMILESCc1cccc(C(=O)NCC2CCn3ncc(C(=O)N4CCN(C)CC4)c3C2)c1C
InChIInChI=1S/C23H31N5O2/c1-16-5-4-6-19(17(16)2)22(29)24-14-18-7-8-28-21(13-18)20(15-25-28)23(30)27-11-9-26(3)10-12-27/h4-6,15,18H,7-14H2,1-3H3,(H,24,29)
InChIKeyGEDPCQVNVPGROC-UHFFFAOYSA-N
XLogP1.88
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-methylpiperazin-1-yl)-[(5S)-5-[(propan-2-ylamino)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]methanone
CID 129323917
(4-methylpiperazin-1-yl)-[(5R)-5-[(propan-2-ylamino)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]methanone
CID 129323918
N-[[(5R)-3-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]methyl]pyridine-3-carboxamide
CID 129323478
[5-[[(6-methoxy-2-pyridinyl)methylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 128971210
N-[[3-[3-(dimethylamino)azetidine-1-carbonyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]methyl]pyridine-3-carboxamide
CID 128989056
[5-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 154754441
3-cyano-N-[[(5R)-3-(morpholine-4-carbonyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]methyl]thiophene-2-carboxamide
CID 129323919
5-[(pyridine-3-carbonylamino)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylic acid
CID 119030880
5-(acetamidomethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylic acid
CID 112756606
N-[(4-hydroxycyclohexyl)methyl]-2,3-dimethylbenzamide
CID 106123854
3-(4-fluorophenyl)-N-[[(5S)-3-(morpholine-4-carbonyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]methyl]propanamide
CID 129324258
(5R)-N-propan-2-yl-5-[(thiophene-3-carbonylamino)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 129324176

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-[[3-(4-methylpiperazine-1-carbonyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]methyl]benzamide?
The IUPAC name of 2,3-dimethyl-N-[[3-(4-methylpiperazine-1-carbonyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]methyl]benzamide (CID 128971505) is 2,3-dimethyl-N-[[3-(4-methylpiperazine-1-carbonyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]methyl]benzamide.
What is the SMILES notation for 2,3-dimethyl-N-[[3-(4-methylpiperazine-1-carbonyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]methyl]benzamide?
The canonical SMILES for 2,3-dimethyl-N-[[3-(4-methylpiperazine-1-carbonyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]methyl]benzamide is Cc1cccc(C(=O)NCC2CCn3ncc(C(=O)N4CCN(C)CC4)c3C2)c1C.
What is the InChIKey of 2,3-dimethyl-N-[[3-(4-methylpiperazine-1-carbonyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]methyl]benzamide?
The InChIKey is GEDPCQVNVPGROC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O2/c1-16-5-4-6-19(17(16)2)22(29)24-14-18-7-8-28-21(13-18)20(15-25-28)23(30)27-11-9-26(3)10-12-27/h4-6,15,18H,7-14H2,1-3H3,(H,24,29).
What are the key properties of 2,3-dimethyl-N-[[3-(4-methylpiperazine-1-carbonyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]methyl]benzamide?
2,3-dimethyl-N-[[3-(4-methylpiperazine-1-carbonyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]methyl]benzamide has a molecular weight of 409.53 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-[[3-(4-methylpiperazine-1-carbonyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]methyl]benzamide is sourced from PubChem (CID 128971505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).