N-cyclopropyl-3-[1-[5-[[1-(1-hydroxypropan-2-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide

C27H34N6O2 — CID 134325387

IUPACN-cyclopropyl-3-[1-[5-[[1-(1-hydroxypropan-2-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cncc(NC3CCN(C(C)CO)CC3)c2)c1
InChIInChI=1S/C27H34N6O2/c1-18-3-4-20(27(35)31-22-5-6-22)11-26(18)21-13-29-33(16-21)25-12-24(14-28-15-25)30-23-7-9-32(10-8-23)19(2)17-34/h3-4,11-16,19,22-23,30,34H,5-10,17H2,1-2H3,(H,31,35)
InChIKeyWDQBOBXPHQWIGM-UHFFFAOYSA-N
MW474.61 g/mol
LogP3.39
Rot. Bonds8

About N-cyclopropyl-3-[1-[5-[[1-(1-hydroxypropan-2-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide

N-cyclopropyl-3-[1-[5-[[1-(1-hydroxypropan-2-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide (PubChem CID 134325387) has the molecular formula C27H34N6O2 and a molecular weight of 474.61 g/mol. Its IUPAC name is N-cyclopropyl-3-[1-[5-[[1-(1-hydroxypropan-2-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[1-[5-[[1-(1-hydroxypropan-2-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide
PubChem CID134325387
Molecular FormulaC27H34N6O2
Molecular Weight474.61 g/mol
Exact Mass474.27
IUPAC NameN-cyclopropyl-3-[1-[5-[[1-(1-hydroxypropan-2-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cncc(NC3CCN(C(C)CO)CC3)c2)c1
InChIInChI=1S/C27H34N6O2/c1-18-3-4-20(27(35)31-22-5-6-22)11-26(18)21-13-29-33(16-21)25-12-24(14-28-15-25)30-23-7-9-32(10-8-23)19(2)17-34/h3-4,11-16,19,22-23,30,34H,5-10,17H2,1-2H3,(H,31,35)
InChIKeyWDQBOBXPHQWIGM-UHFFFAOYSA-N
XLogP3.39
TPSA95.31 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.61
LogP ≤ 53.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[1-[5-[[1-(1-hydroxypropan-2-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide?
The IUPAC name of N-cyclopropyl-3-[1-[5-[[1-(1-hydroxypropan-2-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide (CID 134325387) is N-cyclopropyl-3-[1-[5-[[1-(1-hydroxypropan-2-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide.
What is the SMILES notation for N-cyclopropyl-3-[1-[5-[[1-(1-hydroxypropan-2-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide?
The canonical SMILES for N-cyclopropyl-3-[1-[5-[[1-(1-hydroxypropan-2-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide is Cc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cncc(NC3CCN(C(C)CO)CC3)c2)c1.
What is the InChIKey of N-cyclopropyl-3-[1-[5-[[1-(1-hydroxypropan-2-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide?
The InChIKey is WDQBOBXPHQWIGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N6O2/c1-18-3-4-20(27(35)31-22-5-6-22)11-26(18)21-13-29-33(16-21)25-12-24(14-28-15-25)30-23-7-9-32(10-8-23)19(2)17-34/h3-4,11-16,19,22-23,30,34H,5-10,17H2,1-2H3,(H,31,35).
What are the key properties of N-cyclopropyl-3-[1-[5-[[1-(1-hydroxypropan-2-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide?
N-cyclopropyl-3-[1-[5-[[1-(1-hydroxypropan-2-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide has a molecular weight of 474.61 g/mol, XLogP of 3.39, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[1-[5-[[1-(1-hydroxypropan-2-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide is sourced from PubChem (CID 134325387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).