N-[3-(5-chloro-2-pyridinyl)-1-methylpyrazol-5-yl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide

C22H19ClN8O — CID 53329352

IUPACN-[3-(5-chloro-2-pyridinyl)-1-methylpyrazol-5-yl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
SMILESCn1nc(-c2ccc(Cl)cn2)cc1NC(=O)c1nc(C2CC2)ccc1Nc1cncnc1
InChIInChI=1S/C22H19ClN8O/c1-31-20(8-19(30-31)17-5-4-14(23)9-26-17)29-22(32)21-18(27-15-10-24-12-25-11-15)7-6-16(28-21)13-2-3-13/h4-13,27H,2-3H2,1H3,(H,29,32)
InChIKeyUQUKFWCPLUNVHQ-UHFFFAOYSA-N
MW446.90 g/mol
LogP4.19
Rot. Bonds6

About N-[3-(5-chloro-2-pyridinyl)-1-methylpyrazol-5-yl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide

N-[3-(5-chloro-2-pyridinyl)-1-methylpyrazol-5-yl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (PubChem CID 53329352) has the molecular formula C22H19ClN8O and a molecular weight of 446.90 g/mol. Its IUPAC name is N-[3-(5-chloro-2-pyridinyl)-1-methylpyrazol-5-yl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(5-chloro-2-pyridinyl)-1-methylpyrazol-5-yl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
PubChem CID53329352
Molecular FormulaC22H19ClN8O
Molecular Weight446.90 g/mol
Exact Mass446.14
IUPAC NameN-[3-(5-chloro-2-pyridinyl)-1-methylpyrazol-5-yl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
SMILESCn1nc(-c2ccc(Cl)cn2)cc1NC(=O)c1nc(C2CC2)ccc1Nc1cncnc1
InChIInChI=1S/C22H19ClN8O/c1-31-20(8-19(30-31)17-5-4-14(23)9-26-17)29-22(32)21-18(27-15-10-24-12-25-11-15)7-6-16(28-21)13-2-3-13/h4-13,27H,2-3H2,1H3,(H,29,32)
InChIKeyUQUKFWCPLUNVHQ-UHFFFAOYSA-N
XLogP4.19
TPSA110.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.90
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[3-(5-chloro-2-pyridinyl)-1-methylpyrazol-5-yl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The IUPAC name of N-[3-(5-chloro-2-pyridinyl)-1-methylpyrazol-5-yl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (CID 53329352) is N-[3-(5-chloro-2-pyridinyl)-1-methylpyrazol-5-yl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-[3-(5-chloro-2-pyridinyl)-1-methylpyrazol-5-yl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The canonical SMILES for N-[3-(5-chloro-2-pyridinyl)-1-methylpyrazol-5-yl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is Cn1nc(-c2ccc(Cl)cn2)cc1NC(=O)c1nc(C2CC2)ccc1Nc1cncnc1.
What is the InChIKey of N-[3-(5-chloro-2-pyridinyl)-1-methylpyrazol-5-yl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The InChIKey is UQUKFWCPLUNVHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN8O/c1-31-20(8-19(30-31)17-5-4-14(23)9-26-17)29-22(32)21-18(27-15-10-24-12-25-11-15)7-6-16(28-21)13-2-3-13/h4-13,27H,2-3H2,1H3,(H,29,32).
What are the key properties of N-[3-(5-chloro-2-pyridinyl)-1-methylpyrazol-5-yl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
N-[3-(5-chloro-2-pyridinyl)-1-methylpyrazol-5-yl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide has a molecular weight of 446.90 g/mol, XLogP of 4.19, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-chloro-2-pyridinyl)-1-methylpyrazol-5-yl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is sourced from PubChem (CID 53329352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).