(2R,3S)-4-[2-(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-3-methylpiperazine-2-carboxamide

C20H22FN7O — CID 139344854

IUPAC(2R,3S)-4-[2-(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-3-methylpiperazine-2-carboxamide
SMILESC[C@H]1[C@H](C(N)=O)NCCN1c1ccnc(-c2cnc3cc(F)c(C4CC4)cn23)n1
InChIInChI=1S/C20H22FN7O/c1-11-18(19(22)29)23-6-7-27(11)16-4-5-24-20(26-16)15-9-25-17-8-14(21)13(10-28(15)17)12-2-3-12/h4-5,8-12,18,23H,2-3,6-7H2,1H3,(H2,22,29)/t11-,18+/m0/s1
InChIKeyBDCPMTTUVJUAHQ-BBATYDOGSA-N
MW395.44 g/mol
LogP1.46
Rot. Bonds4

About (2R,3S)-4-[2-(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-3-methylpiperazine-2-carboxamide

(2R,3S)-4-[2-(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-3-methylpiperazine-2-carboxamide (PubChem CID 139344854) has the molecular formula C20H22FN7O and a molecular weight of 395.44 g/mol. Its IUPAC name is (2R,3S)-4-[2-(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-3-methylpiperazine-2-carboxamide.

Molecular Properties

Compound Name(2R,3S)-4-[2-(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-3-methylpiperazine-2-carboxamide
PubChem CID139344854
Molecular FormulaC20H22FN7O
Molecular Weight395.44 g/mol
Exact Mass395.19
IUPAC Name(2R,3S)-4-[2-(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-3-methylpiperazine-2-carboxamide
SMILESC[C@H]1[C@H](C(N)=O)NCCN1c1ccnc(-c2cnc3cc(F)c(C4CC4)cn23)n1
InChIInChI=1S/C20H22FN7O/c1-11-18(19(22)29)23-6-7-27(11)16-4-5-24-20(26-16)15-9-25-17-8-14(21)13(10-28(15)17)12-2-3-12/h4-5,8-12,18,23H,2-3,6-7H2,1H3,(H2,22,29)/t11-,18+/m0/s1
InChIKeyBDCPMTTUVJUAHQ-BBATYDOGSA-N
XLogP1.46
TPSA101.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.44
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-4-[2-(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-3-methylpiperazine-2-carboxamide?
The IUPAC name of (2R,3S)-4-[2-(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-3-methylpiperazine-2-carboxamide (CID 139344854) is (2R,3S)-4-[2-(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-3-methylpiperazine-2-carboxamide.
What is the SMILES notation for (2R,3S)-4-[2-(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-3-methylpiperazine-2-carboxamide?
The canonical SMILES for (2R,3S)-4-[2-(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-3-methylpiperazine-2-carboxamide is C[C@H]1[C@H](C(N)=O)NCCN1c1ccnc(-c2cnc3cc(F)c(C4CC4)cn23)n1.
What is the InChIKey of (2R,3S)-4-[2-(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-3-methylpiperazine-2-carboxamide?
The InChIKey is BDCPMTTUVJUAHQ-BBATYDOGSA-N. The full InChI is InChI=1S/C20H22FN7O/c1-11-18(19(22)29)23-6-7-27(11)16-4-5-24-20(26-16)15-9-25-17-8-14(21)13(10-28(15)17)12-2-3-12/h4-5,8-12,18,23H,2-3,6-7H2,1H3,(H2,22,29)/t11-,18+/m0/s1.
What are the key properties of (2R,3S)-4-[2-(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-3-methylpiperazine-2-carboxamide?
(2R,3S)-4-[2-(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-3-methylpiperazine-2-carboxamide has a molecular weight of 395.44 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-4-[2-(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-3-methylpiperazine-2-carboxamide is sourced from PubChem (CID 139344854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).