N-propan-2-yl-2-[[(2S)-1-prop-2-enoylpyrrolidin-2-yl]methylamino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

C18H24N6O2 — CID 118115499

IUPACN-propan-2-yl-2-[[(2S)-1-prop-2-enoylpyrrolidin-2-yl]methylamino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESC=CC(=O)N1CCC[C@H]1CNc1cnc2[nH]cc(C(=O)NC(C)C)c2n1
InChIInChI=1S/C18H24N6O2/c1-4-15(25)24-7-5-6-12(24)8-19-14-10-21-17-16(23-14)13(9-20-17)18(26)22-11(2)3/h4,9-12H,1,5-8H2,2-3H3,(H,19,23)(H,20,21)(H,22,26)/t12-/m0/s1
InChIKeyLPGMQGMXAJBVRG-LBPRGKRZSA-N
MW356.43 g/mol
LogP1.68
Rot. Bonds6

About N-propan-2-yl-2-[[(2S)-1-prop-2-enoylpyrrolidin-2-yl]methylamino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

N-propan-2-yl-2-[[(2S)-1-prop-2-enoylpyrrolidin-2-yl]methylamino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 118115499) has the molecular formula C18H24N6O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is N-propan-2-yl-2-[[(2S)-1-prop-2-enoylpyrrolidin-2-yl]methylamino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-2-[[(2S)-1-prop-2-enoylpyrrolidin-2-yl]methylamino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID118115499
Molecular FormulaC18H24N6O2
Molecular Weight356.43 g/mol
Exact Mass356.20
IUPAC NameN-propan-2-yl-2-[[(2S)-1-prop-2-enoylpyrrolidin-2-yl]methylamino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESC=CC(=O)N1CCC[C@H]1CNc1cnc2[nH]cc(C(=O)NC(C)C)c2n1
InChIInChI=1S/C18H24N6O2/c1-4-15(25)24-7-5-6-12(24)8-19-14-10-21-17-16(23-14)13(9-20-17)18(26)22-11(2)3/h4,9-12H,1,5-8H2,2-3H3,(H,19,23)(H,20,21)(H,22,26)/t12-/m0/s1
InChIKeyLPGMQGMXAJBVRG-LBPRGKRZSA-N
XLogP1.68
TPSA103.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-[[(2S)-1-prop-2-enoylpyrrolidin-2-yl]methylamino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of N-propan-2-yl-2-[[(2S)-1-prop-2-enoylpyrrolidin-2-yl]methylamino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 118115499) is N-propan-2-yl-2-[[(2S)-1-prop-2-enoylpyrrolidin-2-yl]methylamino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for N-propan-2-yl-2-[[(2S)-1-prop-2-enoylpyrrolidin-2-yl]methylamino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for N-propan-2-yl-2-[[(2S)-1-prop-2-enoylpyrrolidin-2-yl]methylamino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is C=CC(=O)N1CCC[C@H]1CNc1cnc2[nH]cc(C(=O)NC(C)C)c2n1.
What is the InChIKey of N-propan-2-yl-2-[[(2S)-1-prop-2-enoylpyrrolidin-2-yl]methylamino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is LPGMQGMXAJBVRG-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H24N6O2/c1-4-15(25)24-7-5-6-12(24)8-19-14-10-21-17-16(23-14)13(9-20-17)18(26)22-11(2)3/h4,9-12H,1,5-8H2,2-3H3,(H,19,23)(H,20,21)(H,22,26)/t12-/m0/s1.
What are the key properties of N-propan-2-yl-2-[[(2S)-1-prop-2-enoylpyrrolidin-2-yl]methylamino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
N-propan-2-yl-2-[[(2S)-1-prop-2-enoylpyrrolidin-2-yl]methylamino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 1.68, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-[[(2S)-1-prop-2-enoylpyrrolidin-2-yl]methylamino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 118115499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).