6-cyclopropyl-N-[1-methyl-5-[[(2S)-oxolan-2-yl]methylcarbamoyl]pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide

C22H25N9O3 — CID 54759456

IUPAC6-cyclopropyl-N-[1-methyl-5-[[(2S)-oxolan-2-yl]methylcarbamoyl]pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESCn1ncc(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)c1C(=O)NC[C@@H]1CCCO1
InChIInChI=1S/C22H25N9O3/c1-31-19(22(33)26-9-15-3-2-6-34-15)17(11-27-31)30-21(32)18-20(28-14-7-23-12-24-8-14)25-10-16(29-18)13-4-5-13/h7-8,10-13,15H,2-6,9H2,1H3,(H,25,28)(H,26,33)(H,30,32)/t15-/m0/s1
InChIKeyUJAXDHMVPFKCRJ-HNNXBMFYSA-N
MW463.50 g/mol
LogP1.78
Rot. Bonds8

About 6-cyclopropyl-N-[1-methyl-5-[[(2S)-oxolan-2-yl]methylcarbamoyl]pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide

6-cyclopropyl-N-[1-methyl-5-[[(2S)-oxolan-2-yl]methylcarbamoyl]pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (PubChem CID 54759456) has the molecular formula C22H25N9O3 and a molecular weight of 463.50 g/mol. Its IUPAC name is 6-cyclopropyl-N-[1-methyl-5-[[(2S)-oxolan-2-yl]methylcarbamoyl]pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[1-methyl-5-[[(2S)-oxolan-2-yl]methylcarbamoyl]pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
PubChem CID54759456
Molecular FormulaC22H25N9O3
Molecular Weight463.50 g/mol
Exact Mass463.21
IUPAC Name6-cyclopropyl-N-[1-methyl-5-[[(2S)-oxolan-2-yl]methylcarbamoyl]pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESCn1ncc(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)c1C(=O)NC[C@@H]1CCCO1
InChIInChI=1S/C22H25N9O3/c1-31-19(22(33)26-9-15-3-2-6-34-15)17(11-27-31)30-21(32)18-20(28-14-7-23-12-24-8-14)25-10-16(29-18)13-4-5-13/h7-8,10-13,15H,2-6,9H2,1H3,(H,25,28)(H,26,33)(H,30,32)/t15-/m0/s1
InChIKeyUJAXDHMVPFKCRJ-HNNXBMFYSA-N
XLogP1.78
TPSA148.84 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.50
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[1-methyl-5-[[(2S)-oxolan-2-yl]methylcarbamoyl]pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[1-methyl-5-[[(2S)-oxolan-2-yl]methylcarbamoyl]pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (CID 54759456) is 6-cyclopropyl-N-[1-methyl-5-[[(2S)-oxolan-2-yl]methylcarbamoyl]pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[1-methyl-5-[[(2S)-oxolan-2-yl]methylcarbamoyl]pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[1-methyl-5-[[(2S)-oxolan-2-yl]methylcarbamoyl]pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is Cn1ncc(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)c1C(=O)NC[C@@H]1CCCO1.
What is the InChIKey of 6-cyclopropyl-N-[1-methyl-5-[[(2S)-oxolan-2-yl]methylcarbamoyl]pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The InChIKey is UJAXDHMVPFKCRJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H25N9O3/c1-31-19(22(33)26-9-15-3-2-6-34-15)17(11-27-31)30-21(32)18-20(28-14-7-23-12-24-8-14)25-10-16(29-18)13-4-5-13/h7-8,10-13,15H,2-6,9H2,1H3,(H,25,28)(H,26,33)(H,30,32)/t15-/m0/s1.
What are the key properties of 6-cyclopropyl-N-[1-methyl-5-[[(2S)-oxolan-2-yl]methylcarbamoyl]pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
6-cyclopropyl-N-[1-methyl-5-[[(2S)-oxolan-2-yl]methylcarbamoyl]pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide has a molecular weight of 463.50 g/mol, XLogP of 1.78, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[1-methyl-5-[[(2S)-oxolan-2-yl]methylcarbamoyl]pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 54759456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).