N-cyclopropyl-4-methyl-3-[1-[5-[[1-(oxetan-3-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide

C27H32N6O2 — CID 134325322

IUPACN-cyclopropyl-4-methyl-3-[1-[5-[[1-(oxetan-3-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cncc(NC3CCN(C4COC4)CC3)c2)c1
InChIInChI=1S/C27H32N6O2/c1-18-2-3-19(27(34)31-21-4-5-21)10-26(18)20-12-29-33(15-20)24-11-23(13-28-14-24)30-22-6-8-32(9-7-22)25-16-35-17-25/h2-3,10-15,21-22,25,30H,4-9,16-17H2,1H3,(H,31,34)
InChIKeyDUJQLTGBCIXIMJ-UHFFFAOYSA-N
MW472.59 g/mol
LogP3.41
Rot. Bonds7

About N-cyclopropyl-4-methyl-3-[1-[5-[[1-(oxetan-3-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide

N-cyclopropyl-4-methyl-3-[1-[5-[[1-(oxetan-3-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide (PubChem CID 134325322) has the molecular formula C27H32N6O2 and a molecular weight of 472.59 g/mol. Its IUPAC name is N-cyclopropyl-4-methyl-3-[1-[5-[[1-(oxetan-3-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-methyl-3-[1-[5-[[1-(oxetan-3-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide
PubChem CID134325322
Molecular FormulaC27H32N6O2
Molecular Weight472.59 g/mol
Exact Mass472.26
IUPAC NameN-cyclopropyl-4-methyl-3-[1-[5-[[1-(oxetan-3-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cncc(NC3CCN(C4COC4)CC3)c2)c1
InChIInChI=1S/C27H32N6O2/c1-18-2-3-19(27(34)31-21-4-5-21)10-26(18)20-12-29-33(15-20)24-11-23(13-28-14-24)30-22-6-8-32(9-7-22)25-16-35-17-25/h2-3,10-15,21-22,25,30H,4-9,16-17H2,1H3,(H,31,34)
InChIKeyDUJQLTGBCIXIMJ-UHFFFAOYSA-N
XLogP3.41
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.59
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-methyl-3-[1-[5-[[1-(oxetan-3-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide?
The IUPAC name of N-cyclopropyl-4-methyl-3-[1-[5-[[1-(oxetan-3-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide (CID 134325322) is N-cyclopropyl-4-methyl-3-[1-[5-[[1-(oxetan-3-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-methyl-3-[1-[5-[[1-(oxetan-3-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide?
The canonical SMILES for N-cyclopropyl-4-methyl-3-[1-[5-[[1-(oxetan-3-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide is Cc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cncc(NC3CCN(C4COC4)CC3)c2)c1.
What is the InChIKey of N-cyclopropyl-4-methyl-3-[1-[5-[[1-(oxetan-3-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide?
The InChIKey is DUJQLTGBCIXIMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N6O2/c1-18-2-3-19(27(34)31-21-4-5-21)10-26(18)20-12-29-33(15-20)24-11-23(13-28-14-24)30-22-6-8-32(9-7-22)25-16-35-17-25/h2-3,10-15,21-22,25,30H,4-9,16-17H2,1H3,(H,31,34).
What are the key properties of N-cyclopropyl-4-methyl-3-[1-[5-[[1-(oxetan-3-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide?
N-cyclopropyl-4-methyl-3-[1-[5-[[1-(oxetan-3-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide has a molecular weight of 472.59 g/mol, XLogP of 3.41, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-methyl-3-[1-[5-[[1-(oxetan-3-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide is sourced from PubChem (CID 134325322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).